4-(1,3-dimethyl-2-oxidanylidene-1,3-diazinan-5-yl)benzoic acid

Systemtic Name: 4-(1,3-dimethyl-2-oxidanylidene-1,3-diazinan-5-yl)benzoic acid Openeye Name: 4-(1,3-dimethyl-2-oxo-hexahydropyrimidin-5-yl)benzoic acid CAS Name: 4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)benzoic acid IUPAC Name: 4-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)benzoic acid Traditional Name: 4-(2-keto-1,3-dimethyl-hexahydropyrimidin-5-yl)benzoic acid Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CN(C1=O)C)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN1CC(CN(C1=O)C)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H16N2O3/c1-14-7-11(8-15(2)13(14)18)9-3-5-10(6-4-9)12(16)17/h3-6,11H,7-8H2,1-2H3,(H,16,17)